[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane

C16H17ClFN5OSi — CID 167438793

IUPAC[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1nnn(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C16H17ClFN5OSi/c1-25(2,3)16-13(10-24-15-9-8-14(17)19-20-15)23(22-21-16)12-6-4-11(18)5-7-12/h4-9H,10H2,1-3H3
InChIKeyJZENUKJMSOVYCK-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.97
Rot. Bonds5

About [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane

[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane (PubChem CID 167438793) has the molecular formula C16H17ClFN5OSi and a molecular weight of 377.88 g/mol. Its IUPAC name is [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane
PubChem CID167438793
Molecular FormulaC16H17ClFN5OSi
Molecular Weight377.88 g/mol
Exact Mass377.09
IUPAC Name[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1nnn(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C16H17ClFN5OSi/c1-25(2,3)16-13(10-24-15-9-8-14(17)19-20-15)23(22-21-16)12-6-4-11(18)5-7-12/h4-9H,10H2,1-3H3
InChIKeyJZENUKJMSOVYCK-UHFFFAOYSA-N
XLogP2.97
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane?
The IUPAC name of [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane (CID 167438793) is [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane.
What is the SMILES notation for [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane?
The canonical SMILES for [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane is C[Si](C)(C)c1nnn(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1.
What is the InChIKey of [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane?
The InChIKey is JZENUKJMSOVYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5OSi/c1-25(2,3)16-13(10-24-15-9-8-14(17)19-20-15)23(22-21-16)12-6-4-11(18)5-7-12/h4-9H,10H2,1-3H3.
What are the key properties of [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane?
[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane has a molecular weight of 377.88 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-(4-fluorophenyl)triazol-4-yl]-trimethylsilane is sourced from PubChem (CID 167438793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).